BDBM325637 US9636336, Example 28::US9636336, Example 94::US9636336, Example 95::[(1S)-2-(3,5-dichloro-1-oxido-pyridin-1-ium-4-yl)-1-(3,4-dimethoxyphenyl)ethyl]5-[[[2-[[(2R)-1-methylazetidin-2-yl]methoxy]-2-oxo-1-phenyl-ethyl]amino]methyl]thiophene-2-carboxylate

SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OC[C@H]2CCN2C)c2ccccc2)s1

InChI Key InChIKey=NOLWRKJHIOZSLE-UHFFFAOYSA-N

Data  2 KI  10 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 325637   

TargetMuscarinic acetylcholine receptor M3(Human)
Chiesi Farmaceutici

US Patent
LigandPNGBDBM325637(US9636336, Example 28 | [(1S)-2-(3,5-dichloro-1-ox...)
Affinity DataIC50: 1nMAssay Description:Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2019
Entry Details
Go to US Patent

LigandPNGBDBM325637(US9636336, Example 28 | [(1S)-2-(3,5-dichloro-1-ox...)
Affinity DataIC50: 5.5nMAssay Description:PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2019
Entry Details
Go to US Patent

TargetMuscarinic acetylcholine receptor M3(Human)
Chiesi Farmaceutici

US Patent
LigandPNGBDBM325637(US9636336, Example 28 | [(1S)-2-(3,5-dichloro-1-ox...)
Affinity DataIC50: 5.5nMAssay Description:Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2019
Entry Details
Go to US Patent

LigandPNGBDBM325637(US9636336, Example 28 | [(1S)-2-(3,5-dichloro-1-ox...)
Affinity DataIC50: 5.5nMAssay Description:PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2019
Entry Details
Go to US Patent

TargetMuscarinic acetylcholine receptor M3(Human)
Chiesi Farmaceutici

US Patent
LigandPNGBDBM325637(US9636336, Example 28 | [(1S)-2-(3,5-dichloro-1-ox...)
Affinity DataIC50: 1nMAssay Description:Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2019
Entry Details
Go to US Patent

LigandPNGBDBM325637(US9636336, Example 28 | [(1S)-2-(3,5-dichloro-1-ox...)
Affinity DataIC50: 5.5nMAssay Description:PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2019
Entry Details
Go to US Patent

TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B(Human)
Chiesi Farmaceutici

Curated by ChEMBL
LigandPNGBDBM325637(US9636336, Example 28 | [(1S)-2-(3,5-dichloro-1-ox...)
Affinity DataIC50: 2.5nMAssay Description:Inhibition of human recombinant PDE4B2 assessed as reduction in cAMP level incubated for 2 hrs by LANCE Ultra cAMP TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B(Human)
Chiesi Farmaceutici

Curated by ChEMBL
LigandPNGBDBM325637(US9636336, Example 28 | [(1S)-2-(3,5-dichloro-1-ox...)
Affinity DataIC50: 2.51nMAssay Description:Inhibition of human recombinant PDE4B2 assessed as reduction in cAMP level incubated for 2 hrs by LANCE Ultra cAMP TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M3(Rat)
Chiesi Farmaceutici

Curated by ChEMBL
LigandPNGBDBM325637(US9636336, Example 28 | [(1S)-2-(3,5-dichloro-1-ox...)
Affinity DataIC50: 20nMAssay Description:Antagonist activity at muscarinic M3 receptor in rat trachea assessed as inhibition of carbachol-induced contractionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M3(Rat)
Chiesi Farmaceutici

Curated by ChEMBL
LigandPNGBDBM325637(US9636336, Example 28 | [(1S)-2-(3,5-dichloro-1-ox...)
Affinity DataIC50: 20nMAssay Description:Antagonist activity at muscarinic M3 receptor in rat trachea assessed as inhibition of carbachol-induced contractionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M3(Human)
Chiesi Farmaceutici

US Patent
LigandPNGBDBM325637(US9636336, Example 28 | [(1S)-2-(3,5-dichloro-1-ox...)
Affinity DataKi:  2.5nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M3(Human)
Chiesi Farmaceutici

US Patent
LigandPNGBDBM325637(US9636336, Example 28 | [(1S)-2-(3,5-dichloro-1-ox...)
Affinity DataKi:  2.51nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed